[1-(2-amino-4-chloro-5-fluoroanilino)cyclopentyl]methanol

C12H16ClFN2O — CID 66076669

IUPAC[1-(2-amino-4-chloro-5-fluoroanilino)cyclopentyl]methanol
SMILESNc1cc(Cl)c(F)cc1NC1(CO)CCCC1
InChIInChI=1S/C12H16ClFN2O/c13-8-5-10(15)11(6-9(8)14)16-12(7-17)3-1-2-4-12/h5-6,16-17H,1-4,7,15H2
InChIKeyUYBSZPNQJAUEPX-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.78
Rot. Bonds3

About [1-(2-amino-4-chloro-5-fluoroanilino)cyclopentyl]methanol

[1-(2-amino-4-chloro-5-fluoroanilino)cyclopentyl]methanol (PubChem CID 66076669) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is [1-(2-amino-4-chloro-5-fluoroanilino)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(2-amino-4-chloro-5-fluoroanilino)cyclopentyl]methanol
PubChem CID66076669
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name[1-(2-amino-4-chloro-5-fluoroanilino)cyclopentyl]methanol
SMILESNc1cc(Cl)c(F)cc1NC1(CO)CCCC1
InChIInChI=1S/C12H16ClFN2O/c13-8-5-10(15)11(6-9(8)14)16-12(7-17)3-1-2-4-12/h5-6,16-17H,1-4,7,15H2
InChIKeyUYBSZPNQJAUEPX-UHFFFAOYSA-N
XLogP2.78
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[1-(2-amino-5-fluoro-4-iodoanilino)cyclopentyl]methanol
CID 66100703
[4-(2-amino-5-chloro-4-fluoroanilino)oxan-4-yl]methanol
CID 114169985
[1-(2-amino-5-chloroanilino)cyclohexyl]methanol
CID 115468903
[1-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclopentyl]methanol
CID 115358093
[1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]cyclohexyl]methanol
CID 63591935
[1-(4,6-diamino-3-chloro-2-fluoroanilino)cyclopentyl]methanol
CID 103553038
[4-(2-amino-4-bromo-5-fluoroanilino)oxan-4-yl]methanol
CID 106296889
[1-(4-amino-2,6-dichloroanilino)cyclopentyl]methanol
CID 106890321
[1-(2-amino-5-fluoro-4-iodoanilino)-3-methylcyclohexyl]methanol
CID 66101096
2-(2-amino-4-chloro-5-fluoroanilino)propane-1,3-diol
CID 66077669
[1-(4-chloro-5-fluoro-2-nitroanilino)-4-methylcyclohexyl]methanol
CID 66077597
4-chloro-1-N-cyclopentyl-5-fluorobenzene-1,2-diamine
CID 66077964

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-4-chloro-5-fluoroanilino)cyclopentyl]methanol?
The IUPAC name of [1-(2-amino-4-chloro-5-fluoroanilino)cyclopentyl]methanol (CID 66076669) is [1-(2-amino-4-chloro-5-fluoroanilino)cyclopentyl]methanol.
What is the SMILES notation for [1-(2-amino-4-chloro-5-fluoroanilino)cyclopentyl]methanol?
The canonical SMILES for [1-(2-amino-4-chloro-5-fluoroanilino)cyclopentyl]methanol is Nc1cc(Cl)c(F)cc1NC1(CO)CCCC1.
What is the InChIKey of [1-(2-amino-4-chloro-5-fluoroanilino)cyclopentyl]methanol?
The InChIKey is UYBSZPNQJAUEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c13-8-5-10(15)11(6-9(8)14)16-12(7-17)3-1-2-4-12/h5-6,16-17H,1-4,7,15H2.
What are the key properties of [1-(2-amino-4-chloro-5-fluoroanilino)cyclopentyl]methanol?
[1-(2-amino-4-chloro-5-fluoroanilino)cyclopentyl]methanol has a molecular weight of 258.72 g/mol, XLogP of 2.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-4-chloro-5-fluoroanilino)cyclopentyl]methanol is sourced from PubChem (CID 66076669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).